UCSF

ZINC36117646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 No

Popular Name: 2-[4-[(1S,2E)-2-[(1S)-1-(hydroxymethyl)propyl]imino-4,4-dimethyl-6-oxo-cyclohexyl]-4-oxo-butyl]isoin 2-[4-[(1S,2E)-2-[(1S)-1-(hydroxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 7.33 -24.33 1 7 0 106 426.513 8 ↓
Hi High (pH 8-9.5) 3.09 5.34 -53.74 1 7 -1 112 425.505 8 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.